Crystallography Open Database

Information card for entry 4509488

Preview

Coordinates	4509488.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H24 N4 O5 Zn
Calculated formula	C17 H24 N4 O5 Zn
Title of publication	Identification of Reaction Conditions That Can Reproducibly Lead to a Particular Vertex Geometry: Quest for a Robust and Reproducible Metal-Carboxylate Noncluster-type SBU
Authors of publication	Basu, Tannistha; Sparkes, Hazel A.; Bhunia, Manas Kumar; Mondal, Raju
Journal of publication	Crystal Growth & Design
Year of publication	2009
Journal volume	9
Journal issue	8
Pages of publication	3488
a	13.4503 ± 0.0003 Å
b	13.4503 ± 0.0003 Å
c	21.212 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	3837.48 ± 0.19 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	92
Hermann-Mauguin space group symbol	P 41 21 2
Hall space group symbol	P 4abw 2nw
Residual factor for all reflections	0.0325
Residual factor for significantly intense reflections	0.0266
Weighted residual factors for significantly intense reflections	0.061
Weighted residual factors for all reflections included in the refinement	0.0634
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179630 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/94.	4509488.cif
97318	2014-01-29	cif/ Adding structures of 4509488 via cif-deposit CGI script.	4509488.cif